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@INPROCEEDINGS{Lechermann:874369,
author = {Lechermann, Frank},
title = {{C}ooperation of {M}any-{B}ody {P}hysics and {D}efect
{C}hemistry in {T}ransition-{M}etal {O}xides},
volume = {50},
address = {Jülich},
publisher = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
reportid = {FZJ-2020-01392},
series = {Publication Series of the John von Neumann Institute for
Computing (NIC) NIC Series},
pages = {93 - 100},
year = {2020},
comment = {NIC Symposium 2020},
booktitle = {NIC Symposium 2020},
abstract = {The problem of defects in correlated materials is at the
heart of the fascinating phenomenology of many of these
compounds. A vast number of prominent features of strongly
correlated systems, such as e. g. high-temperature
superconductivity in cuprates and iron pnictides, or
heavy-fermion physics in Ce-based compounds is often
directly associated with a defect-crystal state. Already the
very concept of a doped Mott-insulator builds up on the
understanding of impurities implanted in an otherwise
perfect crystal lattice. However, a deeper understanding of
the realistic physics is then connected to a faithful
description of the defect chemistry underlying the material
under consideration. We here show that the combination of
density functional theory (DFT) with dynamical mean-field
theory (DMFT) provides a proper tool to elucidate this
realistic interplay between many-body physics and defect
chemistry. Focus is on transition-metal oxides which are
well known to harbour diverse manifestations of electronic
correlations. Two prominent concrete examples, the
paramagnetic metal-to-insulator transition in V$_{2}$O$_{3}$
driven by chromium doping, and the long-standing issue of
lithium-doped NiO will be addressed in some detail.},
month = {Feb},
date = {2020-02-27},
organization = {NIC Symposium 2020, Jülich (Germany),
27 Feb 2020 - 28 Feb 2020},
cin = {NIC},
cid = {I:(DE-Juel1)NIC-20090406},
pnm = {899 - ohne Topic (POF3-899)},
pid = {G:(DE-HGF)POF3-899},
typ = {PUB:(DE-HGF)8 / PUB:(DE-HGF)7},
url = {https://juser.fz-juelich.de/record/874369},
}